| Collection |
D4 : TTD |
| Chemical Name |
DX9065 ( From PubChem : D N C 0 0 0 5 8 4 ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 997.185 g/mol |
4 |
14 |
6.7156 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / 2 C 2 4 H 3 0 F N O 6 S . C a / c 2 * 1 - 1 5 ( 2 ) 2 2 - 1 1 - 1 8 ( 2 6 ( 3 ) 3 3 ( 4 , 3 1 ) 3 2 ) 1 2 - 2 3 ( 1 6 - 5 - 7 - 1 7 ( 2 5 ) 8 - 6 - 1 6 ) 2 1 ( 2 2 ) 1 0 - 9 - 1 9 ( 2 7 ) 1 3 - 2 0 ( 2 8 ) 1 4 - 2 4 ( 2 9 ) 3 0 ; / h 2 * 5 - 1 2 , 1 5 , 1 9 - 2 0 , 2 7 - 2 8 H , 1 3 - 1 4 H 2 , 1 - 4 H 3 , ( H , 2 9 , 3 0 ) ; / q ; ; + 2 / p - 2 / b 2 * 1 0 - 9 + ; / t 2 * 1 9 - , 2 0 - ; / m 1 1 . / s 1 |
| InChIKey |
L Q M C G S Y V Q F X U N L - D O T H A J C A S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | F10 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
